1-cyclohexyl-1-methoxybutan-2-one

C11H20O2 — CID 67499040

IUPAC1-cyclohexyl-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyDOYBCPHZKDJKQQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclohexyl-1-methoxybutan-2-one

1-cyclohexyl-1-methoxybutan-2-one (PubChem CID 67499040) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxybutan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxybutan-2-one
PubChem CID67499040
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclohexyl-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyDOYBCPHZKDJKQQ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxybutan-2-one?
The IUPAC name of 1-cyclohexyl-1-methoxybutan-2-one (CID 67499040) is 1-cyclohexyl-1-methoxybutan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-methoxybutan-2-one?
The canonical SMILES for 1-cyclohexyl-1-methoxybutan-2-one is CCC(=O)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxybutan-2-one?
The InChIKey is DOYBCPHZKDJKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-methoxybutan-2-one?
1-cyclohexyl-1-methoxybutan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxybutan-2-one is sourced from PubChem (CID 67499040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).